3NQ5

Crystal Structure of Tyrosinase from Bacillus megaterium R209H mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Detector technology	CCD
Collection date	2009-11-30
Detector	ADSC QUANTUM 210
Wavelength(s)	0.934
Spacegroup name	P 21 21 21
Unit cell lengths	49.130, 80.850, 147.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.928 - 2.300
R-factor	0.2257
Rwork	0.217
R-free	0.30450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nm8
RMSD bond length	0.011
RMSD bond angle	1.162
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.555	49.037	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.045	0.237
Number of reflections	25173
<I/σ(I)>	7.1	11.5	2.9
Completeness [%]	94.1	93.4	81.7
Redundancy	2.1	2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	290	PEG 8000, zinc acetate, sodium cacodylate, pH 6.1, vapor diffusion, hanging drop, temperature 290K